6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine

C18H20N6 — CID 22547831

IUPAC6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESCC(C)c1ccc(Nc2ncnc(Nc3cccnc3)c2N)cc1
InChIInChI=1S/C18H20N6/c1-12(2)13-5-7-14(8-6-13)23-17-16(19)18(22-11-21-17)24-15-4-3-9-20-10-15/h3-12H,19H2,1-2H3,(H2,21,22,23,24)
InChIKeyUPRODWKHQXYIFA-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.06
Rot. Bonds5

About 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine

6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine (PubChem CID 22547831) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
PubChem CID22547831
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESCC(C)c1ccc(Nc2ncnc(Nc3cccnc3)c2N)cc1
InChIInChI=1S/C18H20N6/c1-12(2)13-5-7-14(8-6-13)23-17-16(19)18(22-11-21-17)24-15-4-3-9-20-10-15/h3-12H,19H2,1-2H3,(H2,21,22,23,24)
InChIKeyUPRODWKHQXYIFA-UHFFFAOYSA-N
XLogP4.06
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-chloro-3-pyridinyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134754
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145475
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
4-N-(5-methyl-2-pyridinyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145493
6-(2,2-diphenylhydrazinyl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145412
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
6-N-(2-phenylethyl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547784
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22540440

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine (CID 22547831) is 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine is CC(C)c1ccc(Nc2ncnc(Nc3cccnc3)c2N)cc1.
What is the InChIKey of 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The InChIKey is UPRODWKHQXYIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-12(2)13-5-7-14(8-6-13)23-17-16(19)18(22-11-21-17)24-15-4-3-9-20-10-15/h3-12H,19H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine has a molecular weight of 320.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22547831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).